6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-phenethyl-hexanamide

Systemtic Name: 6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-phenethyl-hexanamide Openeye Name: 6-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-phenethyl-hexanamide CAS Name: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-phenethylhexanamide IUPAC Name: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-phenethylhexanamide Traditional Name: 6-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-phenethyl-hexanamide Formula: C22H24BrN3O2S MolecularWeight: 474.41386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

InChI

InChI=1S/C22H24BrN3O2S/c23-17-10-11-19-18(15-17)21(28)26(22(29)25-19)14-6-2-5-9-20(27)24-13-12-16-7-3-1-4-8-16/h1,3-4,7-8,10-11,15H,2,5-6,9,12-14H2,(H,24,27)(H,25,29)